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DocumentationIdentifier: MM387736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387736 |
| SMILES |
C#CC(CNCC)OC=C
|
| InChIKey |
HWABSMCUHQCBPY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64832
Similarity: 0.7798
Similarity to MM64832
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403787
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Similarity to MM403787
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8431 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272196
Similarity: 0.7244
Similarity to MM272196
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8402 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
